1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-benzo[e]benzofuran-2-ylethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(2-benzo[e]benzofuranyl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-benzo[e]benzofuran-2-ylethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC3=C(O2)C=CC4=CC=CC=C43

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC3=C(O2)C=CC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O2S/c1-16(24-25-22(29)23-9-4-10-26-11-13-27-14-12-26)21-15-19-18-6-3-2-5-17(18)7-8-20(19)28-21/h2-3,5-8,15H,4,9-14H2,1H3,(H2,23,25,29)/p+1/b24-16-